Chem
J-GLOBAL ID:200907026599991742   Nikkaji number:J552.543H

2-(Cbz-Ile-Leu-)-2-(Triphenylphosphoranylidene)acetic acid benzyl ester

2-(Cbz-Ile-Leu-)-2-(トリフェニルホスホラニリデン)酢酸ベンジル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C47H51N2O6P
Molecular formula furigana: C47-H51-N2-O6-P
Molecular weight: 770.907
InChI: InChI=1S/C47H51N2O6P/c1-5-35(4)42(49-47(53)55-33-37-23-13-7-14-24-37)45(51)48-41(31-34(2)3)43(50)44(46(52)54-32-36-21-11-6-12-22-36)56(38-25-15-8-16-26-38,39-27-17-9-18-28-39)40-29-19-10-20-30-40/h6-30,34-35,41-42H,5,31-33H2,1-4H3,(H,48,51)(H,49,53)/t35-,41-,42-/m0/s1
InChI key: NVCWHOSAYASKQZ-CEFBISQZSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
Systematic name  (3):
  • 2-(Cbz-Ile-Leu-)-2-(トリフェニルホスホラニリデン)酢酸ベンジル
  • ベンジル (4S)-4-[(2S,3S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-メチルペンタンアミド]-6-メチル-3-オキソ-2-(トリフェニル-λ5-ホスファニリデン)ヘプタノアート
  • benzyl (4S)-4-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-6-methyl-3-oxo-2-(triphenyl-λ5-phosphanylidene)heptanoate
Other name (1):
  • 2-(Cbz-Ile-Leu-)-2-(Triphenylphosphoranylidene)acetic acid benzyl ester
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